N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-phenylbutyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27F3N2O3S MolecularWeight: 516.57509

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H27F3N2O3S/c28-27(29,30)23-13-15-24(16-14-23)36(34,35)32-19-22-12-5-4-11-21(22)18-25(32)26(33)31-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-16,25H,6-7,10,17-19H2,(H,31,33)